methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate

C14H23N3O3 — CID 66326164

IUPACmethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate
SMILESCCCC(C)(Nc1ncnc(OCC)c1C)C(=O)OC
InChIInChI=1S/C14H23N3O3/c1-6-8-14(4,13(18)19-5)17-11-10(3)12(20-7-2)16-9-15-11/h9H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyKMRSOWHFVRCOAW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.33
Rot. Bonds7

About methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate

methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate (PubChem CID 66326164) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate
PubChem CID66326164
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate
SMILESCCCC(C)(Nc1ncnc(OCC)c1C)C(=O)OC
InChIInChI=1S/C14H23N3O3/c1-6-8-14(4,13(18)19-5)17-11-10(3)12(20-7-2)16-9-15-11/h9H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyKMRSOWHFVRCOAW-UHFFFAOYSA-N
XLogP2.33
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106177835
methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate
CID 66320364
1-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169732
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 66327907
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 66326146
methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
CID 66326780
N-(1-chloro-2-methylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66325154
N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 113457874
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 66326842
methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate
CID 62007006
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 66325613
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 66324830

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate (CID 66326164) is methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate is CCCC(C)(Nc1ncnc(OCC)c1C)C(=O)OC.
What is the InChIKey of methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate?
The InChIKey is KMRSOWHFVRCOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-8-14(4,13(18)19-5)17-11-10(3)12(20-7-2)16-9-15-11/h9H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate?
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate has a molecular weight of 281.36 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate is sourced from PubChem (CID 66326164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).